4-[3-(4-fluorophenoxy)propoxy]furo[3,2-g]chromen-7-one

C20H15FO5 — CID 11717338

IUPAC4-[3-(4-fluorophenoxy)propoxy]furo[3,2-g]chromen-7-one
SMILESO=c1ccc2c(OCCCOc3ccc(F)cc3)c3ccoc3cc2o1
InChIInChI=1S/C20H15FO5/c21-13-2-4-14(5-3-13)23-9-1-10-25-20-15-6-7-19(22)26-18(15)12-17-16(20)8-11-24-17/h2-8,11-12H,1,9-10H2
InChIKeyBFYXFUBEFMDHHQ-UHFFFAOYSA-N
MW354.33 g/mol
LogP4.53
Rot. Bonds6

About 4-[3-(4-fluorophenoxy)propoxy]furo[3,2-g]chromen-7-one

4-[3-(4-fluorophenoxy)propoxy]furo[3,2-g]chromen-7-one (PubChem CID 11717338) has the molecular formula C20H15FO5 and a molecular weight of 354.33 g/mol. Its IUPAC name is 4-[3-(4-fluorophenoxy)propoxy]furo[3,2-g]chromen-7-one.

Molecular Properties

Compound Name4-[3-(4-fluorophenoxy)propoxy]furo[3,2-g]chromen-7-one
PubChem CID11717338
Molecular FormulaC20H15FO5
Molecular Weight354.33 g/mol
Exact Mass354.09
IUPAC Name4-[3-(4-fluorophenoxy)propoxy]furo[3,2-g]chromen-7-one
SMILESO=c1ccc2c(OCCCOc3ccc(F)cc3)c3ccoc3cc2o1
InChIInChI=1S/C20H15FO5/c21-13-2-4-14(5-3-13)23-9-1-10-25-20-15-6-7-19(22)26-18(15)12-17-16(20)8-11-24-17/h2-8,11-12H,1,9-10H2
InChIKeyBFYXFUBEFMDHHQ-UHFFFAOYSA-N
XLogP4.53
TPSA61.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.33
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

4-[5-(4-phenoxyphenoxy)pentoxy]furo[3,2-g]chromen-7-one
CID 11669703
4-propoxyfuro[3,2-g]chromen-7-one
CID 86101667
4-pent-4-ynoxyfuro[3,2-g]chromen-7-one
CID 11659029
ethane;4-[3-(4-fluorocyclohepta-1,3-dien-1-yl)oxypropoxy]furo[3,2-g]chromen-7-one
CID 143214032
4-[4-[4-[3-[iodo(triphenyl)-λ5-phosphanyl]propyl]phenoxy]butoxy]furo[3,2-g]chromen-7-one
CID 169245420
diethyl-[2-(7-oxofuro[3,2-g]chromen-4-yl)oxyethyl]azanium chloride
CID 5458787
4-[(Z)-but-2-enoxy]furo[3,2-g]chromen-7-one
CID 142092085
7-[2-(4-fluorophenoxy)ethoxy]chromen-2-one
CID 7233626
4-[4-(6-nitrocyclohexa-2,4-dien-1-yl)oxybutoxy]furo[3,2-g]chromen-7-one
CID 89168174
4-(3-oxo-4-phenylbutoxy)furo[3,2-g]chromen-7-one
CID 11588292
(7-oxofuro[3,2-g]chromen-4-yl) acetate
CID 802311
[3-hydroxy-2-methyl-4-(7-oxofuro[3,2-g]chromen-4-yl)oxybutan-2-yl] acetate
CID 162940098

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-fluorophenoxy)propoxy]furo[3,2-g]chromen-7-one?
The IUPAC name of 4-[3-(4-fluorophenoxy)propoxy]furo[3,2-g]chromen-7-one (CID 11717338) is 4-[3-(4-fluorophenoxy)propoxy]furo[3,2-g]chromen-7-one.
What is the SMILES notation for 4-[3-(4-fluorophenoxy)propoxy]furo[3,2-g]chromen-7-one?
The canonical SMILES for 4-[3-(4-fluorophenoxy)propoxy]furo[3,2-g]chromen-7-one is O=c1ccc2c(OCCCOc3ccc(F)cc3)c3ccoc3cc2o1.
What is the InChIKey of 4-[3-(4-fluorophenoxy)propoxy]furo[3,2-g]chromen-7-one?
The InChIKey is BFYXFUBEFMDHHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FO5/c21-13-2-4-14(5-3-13)23-9-1-10-25-20-15-6-7-19(22)26-18(15)12-17-16(20)8-11-24-17/h2-8,11-12H,1,9-10H2.
What are the key properties of 4-[3-(4-fluorophenoxy)propoxy]furo[3,2-g]chromen-7-one?
4-[3-(4-fluorophenoxy)propoxy]furo[3,2-g]chromen-7-one has a molecular weight of 354.33 g/mol, XLogP of 4.53, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-fluorophenoxy)propoxy]furo[3,2-g]chromen-7-one is sourced from PubChem (CID 11717338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).